[(1R)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1R)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1,7-dimethyl-3-oxo-indan-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18O4S/c1-11-4-7-14(8-5-11)23(20,21)22-16-9-6-12(2)17-13(3)10-15(19)18(16)17/h4-9,13H,10H2,1-3H3/t13-/m1/s1